Geometry & MOs

Info

ID:

408039

PubChem CID:

135080794

Reduced:

N4P4O12C36H53 (2)

Stoich.:

A4B4C12D36E53 (2)

Weight, g/mol:

1825.181711

ΔHf, kcal/mol:

-1347.76

Dipole, Da:

11.29

IP(EA), eV:

 -7.49(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cobalt(2+);5,14,23,32-tetrachloro-6,7,8,15,16,17,24,25,26,33,34,35-dodecapyridin-3-yloxy-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

Drug info:

PubChemData

Smile

CCOP(=O)(CC1=CC2=C(C=C1CP(=O)(OCC)OCC)C3=NC4=NC(=NC5=NC(=NC6=C7C=C(C(=CC7=C(N6)N=C2N3)CP(=O)(OCC)OCC)CP(=O)(OCC)OCC)C8=C5C=C(C(=C8)CP(=O)(OCC)OCC)CP(=O)(OCC)OCC)C9=C4C=C(C(=C9)CP(=O)(OCC)OCC)CP(=O)(OCC)OCC)OCC

DOS

IR

Vibrations